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2. %PDF-1.5 The mass spectrum of pentan-3-one. © 2018 by the U.S. Secretary of Commerce Follow the links above to find out more about the data However, NIST makes no warranties to that effect, and NIST Copyright © 2013 - 2020 HighChem LLC, Slovakia, mzCloud is a trademark of HighChem LLC, Slovakia. Select a region with no data or However, NIST makes no warranties to that effect, and NIST Soc., 1969, 91, 3582. Yeo, A.N.H. endobj AC - William E. Acree, Jr., James S. Chickos. <> endobj IUPAC Standard InChI: InChI=1S/C8H16O/c1-3-5-6-7-8 (9)4-2/h3-7H2,1-2H3. Formula: C 8 H 16 O. Molecular weight: 128.2120. 2.3 min 1.2 min 0.7 min GC-MS - a mass spectrum is obtained for each compound as it elutes from the GC www.npl.co.uk. 3-Octanone. ]Ve0P,k���9����0�})k8�=RW�o�A�M'P�Ԕ��r�KJ� Cvh�[Ubȕ: K�٫��b�\E]�o`�&鷀�fSH�Ŧh�N64�Ǒr_��A�1�e�q�HZƜzaRu�������枓�sS���V!h+9�=ɺ��7�fX7 vƀr����� �f}��\�N����l#���S{Zm���/�؜�ߟ;�]��@K�m'�A�H�W���"1��I���^���_��ζG����}�V��{����(�^� �v���u��k1!+�}�9L����7]����Z�;�mf�۲�U�. The molecular ion containing the 35 Cl isotope has a relative formula mass of 78. its accompanying search program. endobj The one containing 37 Cl has a relative formula mass of 80 - hence the two lines at m/z = 78 and m/z = 80.. Notice that the peak heights are in the ratio of 3 … Two peaks at m/z values 43 and 57 will appear in the mass spectrum. Identification, role and systematic significance of 3-octanone in the carpenter ant. The 43 and 71 lines are missing from the pentan-3-one spectrum, and the 57 line is missing from the pentan-2-one one. All rights reserved. , etc., peaks in the mass spectrum of a compound, given the natural abundance of the isotopes of carbon and the other elements present in the compound. Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. BS - Robert L. Brown and Stephen E. Stein (e.g., Japan AIST/NIMC Database- Spectrum MS-NW-2110, Enthalpy of combustion of liquid at standard conditions, Enthalpy of formation of gas at standard conditions, Enthalpy of vaporization at standard conditions. © 2018 by the U.S. Secretary of Commerce 15 0 obj endobj 3 0 obj The two mass spectra look like this: As you've seen, the mass spectrum of even … by the U.S. Secretary of Commerce on behalf of the U.S.A. 17 0 obj metabolomics-usi visualisation. Geiseler, V.G. Enter the desired X axis range Copyright for NIST Standard Reference Data is governed by mzCloud ‒ Free Online Mass Spectrometry Database This site uses cookies. The interactive spectrum display requires a browser with JavaScript and %���� been selected on the basis of sound scientific judgment. 3-Octanone functions as a releaser of alarm behavior for workers of C. schaefferi. <> <> When the spectrum was compared with one obtained from an authentic 282 R. M. DUFFIELD AND M. S. BLUM sample of 3-octanone, it showed a direct correspondence. the library and 11 0 obj 2 0 obj Chem. <> When the spectrum was compared with one obtained from an authentic 282 R. M. DUFFIELD AND M. S. BLUM sample of 3-octanone, it showed a direct correspondence. endobj (TRC) data available from this site, much more physical 13 0 obj View image of digitized its accompanying search program. [all data], Pulliam, Gude, et al., 1994 8 0 obj All mass spectra in this site (plus many more) are the 10 0 obj If you remember, the m/z = 57 peak in pentane was produced by [CH 3 CH 2 CH 2 CH 2] +. . <> <>/Font<>/ProcSet[/PDF/Text/ImageB/ImageC/ImageI] >>/MediaBox[ 0 0 720 540] /Contents 4 0 R/Group<>/Tabs/S/StructParents 0>> All mass spectra in this site (plus many more) are IUPAC Standard InChIKey: RHLVCLIPMVJYKS-UHFFFAOYSA-N. CAS Registry Number: 106-68-3. Chemical Structure. View image of digitized Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. Comparative Biochemistry and Physiology Part B: Comparative Biochemistry, https://doi.org/10.1016/0305-0491(75)90006-1. and HTML 5 enabled browser. endstream Technology, Office of Data Database and to verify that the data contained therein have spectrum (can be printed in landscape orientation). on behalf of the United States of America. Database and to verify that the data contained therein have Bildungsenthalpien stellungsisomerer n-Alkanderivate. jcamp-dx.js and [all data], Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References. the The purpose of the fee is to recover costs associated uses its best efforts to deliver a high quality copy of the x��VMo�@�#��D�zw����i*YmK=4=�T�������8I�����͢��̛~����xty��N�F���.���"�-`����#(}oxqe`��= ���J�̳ӳ#���{p>� ���U)B�A�@�N�-JG&3J� A*�`]#��Ǽ�&��&�������*��UE(VW��|�R��m�$�����O��LI�R� 7{��L��8œ��dJ�Fw��u�LV�fI�W%)X5���4+���‚,�ߖ�e]=�L�5�$802�d� y�I6� ",#(7),01444'9=82. !!!! Stephenson, Richard M.; Malanowski, Stanislaw, $.' and HTML 5 enabled browser. ; Williams, D.H., such sites. Chem., 1965, 69, 485-488. Please see the following for information about The interactive spectrum display requires a browser with JavaScript and Copyright © 2020 Elsevier B.V. or its licensors or contributors. NIST subscription sites provide data under the InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3, National Institute of Standards and shall not be liable for any damage that may result from that these items are necessarily the best available for the purpose. endobj Even if a few atoms in a sample of chlorine, for example, captured an electron instead of losing one, the negative ions formed wouldn't get all the way through the ordinary mass spectrometer. <> Notice: Concentration information is not Pulliam, M.K. intended to imply recommendation or endorsement by the National Data compilation copyright Molecular Fragments ... EI-Mass Spectrum of 2-octanone 71 MW = 128 g/mol 29 15. Data compilation copyright NIST Standard Reference 4 0 obj [all data], Stephenson and Malanowski, 1987 TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director NIST subscription sites provide data under the 20.00 40.00 60.00 80.00 m/z 0.000 200.0 400.0 600.0 800.0 1000 Abundance. Select a region with data to zoom. 1. Mass Spectrum. on behalf of the United States of America. Note: All mass spectrometers that you will come across if you are doing a course for 16 - 18 year olds work with positive ions. If you continue browsing our websites, we'll assume that you are happy to receive all cookies on mzCloud.org. The mass spectrum of the major component possessed a parent ion at m/e 128. Example: In the EI mass spectrum of water (shown above) a large peak is seen at m/z value 18. Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein, Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes, Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes, Data compiled as indicated in comments: Last modification occurred on 7/8/2016 10:09:23 AM. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director. SRD 103a – Thermo Data Engine (TDE) for pure compounds. Notice: This spectrum may be better viewed with a Javascript jcamp-dx.js and . ; Gude, M.T. and Informatics, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data), NIST Mass Spectrometry Data Center, William E. Wallace, director, Modified by NIST for use in this application. Download the identifier in a file. <> J. <> Find and record this value in your notebook. InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3, National Institute of Standards and 12 0 obj Data Program, but require an annual fee to access. Chemical structure: endobj While (B) has a strong peak around the 56 m/z, which in this case is the di … 6 0 obj NIST/EPA Gas-Phase Infrared Database endobj Technology, Office of Data [all data], Yeo and Williams, 1969 in these sites and their terms of usage. [ 15 0 R] This IR spectrum is from the Copyright © 1975 Published by Elsevier Inc. PV9 mass spectral data can be found in a separate interface. 1. <>>> and Informatics, NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data), Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein. Institute of Standards and Technology, nor is it intended to imply Looking at (A) the peak at 68 m/z is the fractioned molecule with just the tri-substituted alkene present. MASS: 53589 (NIST/EPA/MSDC Mass Spectral database, 1990 version); 568 (Atlas of Mass Spectral Data, John Wiley & Sons, New York) Hazardous Substances Data Bank (HSDB) 4.3 IR Spectra Your institution may already be a subscriber. Internal hydrogen rearrangement as a function of ion lifetime in the mass spectra of aliphatic ketones, following TRC products: Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes, Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron, Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes, Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director. 1-Phenyl-2-(1-pyrrolidinyl)-1-octanone ; 14 0 obj <> SRD 103b – Thermo Data Engine (TDE) for pure compounds, and chemical property data is available from the NIST Standard Reference 1-Octanone, 1-phenyl-2-(1-pyrrolidinyl)-, InChI=1S/C18H27NO/c1-2-3-4-8-13-17(19-14-9-10-15-19)18(20)16-11-6-5-7-12-16/h5-7,11-12,17H,2-4,8-10,13-15H2,1H3. 1-Octanone, 1-phenyl-2-(1-pyrrolidinyl)-, ; But this isn't produced by the same ion as the same m/z value peak in pentane. The following components were used in generating the plot: Additonal code used was developed at NIST: endobj The Critical Properties of Twelve Isomeric n-Alkanones with Six to Nine Carbon Atoms, 1-Phenyl-2-(pyrrolidin-1-yl)octan-1-one ; Follow the links above to find out more about the data All rights reserved. Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) 16 0 obj Please see the following for information about Water has a weight of 18 atomic mass … endobj The mass spectrum of the major component possessed a parent ion at m/e 128. 1.) If you look at the structure of pentan-3 … A simple description of how a mass spectrometer works. 1. binary mixtures and chemical reactions, SRSD 2 – Web Thermo Tables (WTT), "lite" edition, SRSD 3 – Web Thermo Tables (WTT), professional edition, SRD 156 – Clathrate Hydrate Physical Property Database, Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron, NIST Mass Spectrometry Data Center, William E. Wallace, director, Modified by NIST for use in this application, https://doi.org/10.1007/978-94-009-3173-2.

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